SCHEMBL9508922

SCHEMBL9508922

CCCCCCCC/C=C\c1cccc(C(=O)N(CCCC(=O)O)OC2CCCCO2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 2/20 0.35
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 4/20 0.33
F7 P08709 3/20 0.33
F3 P13726 3/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
DUSP3 P51452 1/20 0.33
PTPN7 P35236 1/20 0.33
KDM4E B2RXH2 1/20 0.33
FFAR1 O14842 1/20 0.33
LMNA P02545 1/20 0.33
FABP3 P05413 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP19A1 P11511 1/20 0.33
FABP4 P15090 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9508940 1.00 OXER1 (0.35) OXER1EPHX2ALDH1A1F7F3
SCHEMBL9504744 0.90 EPHX2 (0.37) OXER1EPHX2ALDH1A1F7F3
SCHEMBL9504734 0.90 EPHX2 (0.37) OXER1EPHX2ALDH1A1F7F3
SCHEMBL9504796 0.79 OXER1 (0.41) OXER1EPHX2ALDH1A1F7F3
SCHEMBL9504782 0.79 OXER1 (0.41) OXER1EPHX2ALDH1A1F7F3
SCHEMBL9504823 0.78 EPHX2 (0.43) OXER1EPHX2ALDH1A1F7F3
SCHEMBL9504827 0.78 EPHX2 (0.43) OXER1EPHX2ALDH1A1F7F3
SCHEMBL10876940 0.78 PPARG (0.43) EPHX2F7F3PPARGPPARD
SCHEMBL9508335 0.78 P2RX3 (0.42) HPGD
SCHEMBL9508329 0.78 P2RX3 (0.42) HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US disclosed
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed